1-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]cycloheptanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)NC2(CCCCCC2)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)NC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-12-8-11-21-13(12)6-7-14(18)17-16(15(19)20)9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,17,18)(H,19,20)/b7-6+